SCHEMBL19917622

SCHEMBL19917622

CC(CO)[n+]1ccc(-c2sc(-c3scc4c3OCCO4)c3c2OCCO3)cc1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 3/20 0.34
CHEK2 O96017 3/20 0.34
HTT P42858 1/20 0.33
TSHR P16473 1/20 0.32
BAZ2B Q9UIF8 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19917627 0.82 TSHR (0.38) CHEK1CHEK2HTTTSHRBAZ2B
SCHEMBL19917645 0.81 HTT (0.32) CHEK1CHEK2HTTBAZ2B
SCHEMBL19917644 0.81 HTT (0.31) CHEK1CHEK2HTTBAZ2B
SCHEMBL19917643 0.80 BAZ2B (0.35) CHEK1CHEK2HTTBAZ2B
SCHEMBL19917539 0.80 HTT (0.36) CHEK1CHEK2HTTTSHRBAZ2B
SCHEMBL6370890 0.74 BAZ2B (0.42) CHEK1CHEK2HTTTSHRBAZ2B
SCHEMBL12395230 0.74 BAZ2B (0.42) CHEK1CHEK2HTTTSHRBAZ2B
SCHEMBL10313033 0.74 BAZ2B (0.42) CHEK1CHEK2HTTTSHRBAZ2B
SCHEMBL19899441 0.73 MAPT (0.41) CHEK1CHEK2HTTTSHRBAZ2B
SCHEMBL12185503 0.72 CHEK1 (0.42) CHEK1CHEK2HTTTSHRBAZ2B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018037230-A1 PYRIDYL-ETHYLENEDIOXY-THIOPHENE DERIVATIVES AS TRANSPARENT CONDUCTIVE MATERIAL UNIVERSITY OF STRATHCLYDE (GB) 2018-03-01 WO disclosed